Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 23.3086 7.7389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5816 8.1574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8543 7.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7290 7.0117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8883 7.0117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0360 8.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1267 6.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1267 5.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3996 7.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9774 8.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1763 8.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6672 6.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9343 7.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2014 6.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4686 7.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7358 6.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1212 8.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3883 7.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6554 8.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9226 7.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1896 8.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4569 7.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7240 8.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9911 7.7389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7358 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9911 7.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1880 6.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3851 7.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5820 6.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7790 7.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9761 6.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9398 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1438 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3478 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5518 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7559 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9599 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1639 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3679 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5719 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7759 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9799 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5920 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0410 10.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3760 10.1455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4415 10.4127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5013 10.1663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0153 11.0080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9498 10.7410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5152 10.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5561 9.9912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7933 10.3561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4928 10.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8901 10.9873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0221 11.3323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8279 10.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8934 10.7179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9532 10.4716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4672 11.3133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4017 11.0463 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9671 11.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0080 10.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2452 10.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4562 11.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3420 11.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4740 11.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2733 9.7918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3388 10.0590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3986 9.8127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9126 10.6544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8471 10.3874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4125 10.6383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4534 9.6376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6906 10.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3901 10.3528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7874 10.6336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9194 10.9787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3218 9.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6465 9.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8985 9.4324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7252 10.0971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7907 10.3643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8505 10.1179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3644 10.9597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2989 10.6927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8644 10.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9053 9.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1425 10.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3535 11.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2393 10.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3713 11.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3241 10.4100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5586 9.8110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2052 8.9056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2386 9.0071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0039 9.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5455 9.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9669 9.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6355 8.4443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7892 9.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3574 10.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5680 10.0123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8722 9.9002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8810 9.0562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0694 8.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3129 8.1078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4800 9.0559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0872 8.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 9.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9192 8.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5967 7.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2917 9.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 92 96 1 0 0 0 0 107108 1 1 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 107116 1 0 0 0 0 78107 1 0 0 0 0 M END > LMISSP0505CV05 > > Galalpha1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C80H146N2O32 > 1646.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261552 > - > - > Active (generated by computational methods) > - $$$$